N-(4-piperidin-1-ylsulfonylphenyl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-piperidin-1-ylsulfonylphenyl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(isopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[4-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: N-[4-(1-piperidinylsulfonyl)phenyl]-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]thio]acetamide IUPAC Name: N-(4-piperidin-1-ylsulfonylphenyl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide Traditional Name: 2-[[5-(isopropylamino)-1,3,4-thiadiazol-2-yl]thio]-N-(4-piperidinosulfonylphenyl)acetamide Formula: C18H25N5O3S3 MolecularWeight: 455.6178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NN=C(S1)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C)NC1=NN=C(S1)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H25N5O3S3/c1-13(2)19-17-21-22-18(28-17)27-12-16(24)20-14-6-8-15(9-7-14)29(25,26)23-10-4-3-5-11-23/h6-9,13H,3-5,10-12H2,1-2H3,(H,19,21)(H,20,24)